Details of the Drug

General Information of Drug (ID: DMQXMKB)

• Drug Name: Beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
• Synonyms: beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide; proline scaffold, 26; CHEMBL490730; BDBM29377; DB07083; (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-propylpyrrolidine-2-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 379.5
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C23H29N3O2
  IUPAC Name: (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-propylpyrrolidine-2-carboxamide
  Canonical SMILES: CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N
  InChI: InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
  InChIKey: HZKKJPDVZGOOPU-PZJWPPBQSA-N
• Cross-matching ID:
  PubChem CID: 25271577
  DrugBank ID: DB07083
  TTD ID: D03LGM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.